N,N-diethyl-2-pyrrolidin-1-ium-1-ylidene-chromeno[2,3-d][1,3]thiazol-6-amine perchlorate

Systemtic Name: N,N-diethyl-2-pyrrolidin-1-ium-1-ylidene-chromeno[2,3-d][1,3]thiazol-6-amine perchlorate Openeye Name: N,N-diethyl-2-pyrrolidin-1-ium-1-ylidene-chromeno[2,3-d]thiazol-6-amine perchlorate CAS Name: N,N-diethyl-2-(1-pyrrolidin-1-iumylidene)-6-[1]benzopyrano[2,3-d]thiazolamine perchlorate IUPAC Name: N,N-diethyl-2-pyrrolidin-1-ium-1-ylidenechromeno[2,3-d][1,3]thiazol-6-amine perchlorate Traditional Name: diethyl-(2-pyrrolidin-1-ium-1-ylidenechromeno[2,3-d]thiazol-6-yl)amine perchlorate Formula: C18H22ClN3O5S MolecularWeight: 427.90238

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C3C(=NC(=[N+]4CCCC4)S3)O2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C3C(=NC(=[N+]4CCCC4)S3)O2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H22N3OS.ClHO4/c1-3-20(4-2)14-8-7-13-11-16-17(22-15(13)12-14)19-18(23-16)21-9-5-6-10-21;2-1(3,4)5/h7-8,11-12H,3-6,9-10H2,1-2H3;(H,2,3,4,5)/q+1;/p-1